methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate

C14H14N6O3 — CID 112527007

IUPACmethyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cn(CC(=O)Nc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C14H14N6O3/c1-23-14(22)17-12-7-20(19-18-12)8-13(21)16-11-6-15-10-5-3-2-4-9(10)11/h2-7,15H,8H2,1H3,(H,16,21)(H,17,22)
InChIKeyVKOAPZWYGPFBGK-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.58
Rot. Bonds4

About methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate

methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112527007) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112527007
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Namemethyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cn(CC(=O)Nc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C14H14N6O3/c1-23-14(22)17-12-7-20(19-18-12)8-13(21)16-11-6-15-10-5-3-2-4-9(10)11/h2-7,15H,8H2,1H3,(H,16,21)(H,17,22)
InChIKeyVKOAPZWYGPFBGK-UHFFFAOYSA-N
XLogP1.58
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
methyl N-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526672
2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528878
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112527931
ethyl N-[1-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523159
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
methyl N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522309
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
ethyl N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525340
methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521611

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate (CID 112527007) is methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate is COC(=O)Nc1cn(CC(=O)Nc2c[nH]c3ccccc23)nn1.
What is the InChIKey of methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is VKOAPZWYGPFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-23-14(22)17-12-7-20(19-18-12)8-13(21)16-11-6-15-10-5-3-2-4-9(10)11/h2-7,15H,8H2,1H3,(H,16,21)(H,17,22).
What are the key properties of methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 314.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112527007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).